N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine

C14H20N2S — CID 115118884

IUPACN-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
SMILESc1cc2c(cc1CNC1CCNC1)CCCS2
InChIInChI=1S/C14H20N2S/c1-2-12-8-11(3-4-14(12)17-7-1)9-16-13-5-6-15-10-13/h3-4,8,13,15-16H,1-2,5-7,9-10H2
InChIKeyWAMADCHQLPUSGW-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.18
Rot. Bonds3

About N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine

N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine (PubChem CID 115118884) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
PubChem CID115118884
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
SMILESc1cc2c(cc1CNC1CCNC1)CCCS2
InChIInChI=1S/C14H20N2S/c1-2-12-8-11(3-4-14(12)17-7-1)9-16-13-5-6-15-10-13/h3-4,8,13,15-16H,1-2,5-7,9-10H2
InChIKeyWAMADCHQLPUSGW-UHFFFAOYSA-N
XLogP2.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118827
N-(azetidin-3-ylmethyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)ethanamine
CID 115207833
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352
4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine
CID 84796490
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 79741576
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951094
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395
N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine
CID 116999126
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
3-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)propane-1-thiol
CID 115224925
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
CID 115118875

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine (CID 115118884) is N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine is c1cc2c(cc1CNC1CCNC1)CCCS2.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine?
The InChIKey is WAMADCHQLPUSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-12-8-11(3-4-14(12)17-7-1)9-16-13-5-6-15-10-13/h3-4,8,13,15-16H,1-2,5-7,9-10H2.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine?
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine has a molecular weight of 248.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115118884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).