N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine

C16H23N3OS — CID 167484254

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine
SMILESCc1[nH]c2ccc(SNCCN3CCOCC3)cc2c1C
InChIInChI=1S/C16H23N3OS/c1-12-13(2)18-16-4-3-14(11-15(12)16)21-17-5-6-19-7-9-20-10-8-19/h3-4,11,17-18H,5-10H2,1-2H3
InChIKeyNIAYITSDNOANSL-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.71
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine

N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine (PubChem CID 167484254) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine
PubChem CID167484254
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine
SMILESCc1[nH]c2ccc(SNCCN3CCOCC3)cc2c1C
InChIInChI=1S/C16H23N3OS/c1-12-13(2)18-16-4-3-14(11-15(12)16)21-17-5-6-19-7-9-20-10-8-19/h3-4,11,17-18H,5-10H2,1-2H3
InChIKeyNIAYITSDNOANSL-UHFFFAOYSA-N
XLogP2.71
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 42634157
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 42609848
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 46412846
2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
CID 89163595
4-N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(Z)-prop-1-enyl]pyrimidine-2,4-diamine
CID 71193496
6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58060245
6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 730781
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
CID 59258676

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine (CID 167484254) is N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine is Cc1[nH]c2ccc(SNCCN3CCOCC3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine?
The InChIKey is NIAYITSDNOANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-13(2)18-16-4-3-14(11-15(12)16)21-17-5-6-19-7-9-20-10-8-19/h3-4,11,17-18H,5-10H2,1-2H3.
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine?
N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine has a molecular weight of 305.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 167484254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).