5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

C23H41N3O4S2 — CID 70211320

IUPAC5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2cc([C@@H](N)S(=O)(=O)CCC)c([C@@H](N)S(=O)(=O)CCC)cc2C1
InChIInChI=1S/C23H41N3O4S2/c1-5-9-26(10-6-2)19-13-17-15-20(22(24)31(27,28)11-7-3)21(16-18(17)14-19)23(25)32(29,30)12-8-4/h15-16,19,22-23H,5-14,24-25H2,1-4H3/t22-,23-/m0/s1
InChIKeyYYCHKQXNRBRERX-GOTSBHOMSA-N
MW487.73 g/mol
LogP2.84
Rot. Bonds13

About 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 70211320) has the molecular formula C23H41N3O4S2 and a molecular weight of 487.73 g/mol. Its IUPAC name is 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
PubChem CID70211320
Molecular FormulaC23H41N3O4S2
Molecular Weight487.73 g/mol
Exact Mass487.25
IUPAC Name5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2cc([C@@H](N)S(=O)(=O)CCC)c([C@@H](N)S(=O)(=O)CCC)cc2C1
InChIInChI=1S/C23H41N3O4S2/c1-5-9-26(10-6-2)19-13-17-15-20(22(24)31(27,28)11-7-3)21(16-18(17)14-19)23(25)32(29,30)12-8-4/h15-16,19,22-23H,5-14,24-25H2,1-4H3/t22-,23-/m0/s1
InChIKeyYYCHKQXNRBRERX-GOTSBHOMSA-N
XLogP2.84
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.73
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[amino-[6-[amino-(4-cyanophenyl)sulfonylmethyl]-2-(dipropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]sulfonylbenzonitrile
CID 70210147
2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561
5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 23209354
2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol
CID 175535780
2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde
CID 19710217
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 19710198
[2-(dipropylamino)-6-hydroxy-2,3-dihydro-1H-inden-5-yl] trifluoromethanesulfonate
CID 18705875
1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone
CID 19710243
N,N-dipropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-6-amine
CID 19041541
N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 47540985
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (CID 70211320) is 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCC)C1Cc2cc([C@@H](N)S(=O)(=O)CCC)c([C@@H](N)S(=O)(=O)CCC)cc2C1.
What is the InChIKey of 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is YYCHKQXNRBRERX-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H41N3O4S2/c1-5-9-26(10-6-2)19-13-17-15-20(22(24)31(27,28)11-7-3)21(16-18(17)14-19)23(25)32(29,30)12-8-4/h15-16,19,22-23H,5-14,24-25H2,1-4H3/t22-,23-/m0/s1.
What are the key properties of 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 487.73 g/mol, XLogP of 2.84, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[(S)-amino(propylsulfonyl)methyl]-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 70211320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).