N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

C10H20N2S — CID 62975333

IUPACN'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(CCNC1CCSC1)C1CC1
InChIInChI=1S/C10H20N2S/c1-12(10-2-3-10)6-5-11-9-4-7-13-8-9/h9-11H,2-8H2,1H3
InChIKeyUBMFJCSMZNFAFS-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.18
Rot. Bonds5

About N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 62975333) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID62975333
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(CCNC1CCSC1)C1CC1
InChIInChI=1S/C10H20N2S/c1-12(10-2-3-10)6-5-11-9-4-7-13-8-9/h9-11H,2-8H2,1H3
InChIKeyUBMFJCSMZNFAFS-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561683
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
N-pentylthiolan-3-amine
CID 43177655
N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine
CID 94885646
N'-methyl-N-(thian-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115882122
N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine
CID 79956873
N-[(E)-pent-3-enyl]thiolan-3-amine
CID 115890143
N-(4,4-dimethylpentyl)thiolan-3-amine
CID 115891448
N-(2-propoxyethyl)thiolan-3-amine
CID 106452650
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (CID 62975333) is N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is CN(CCNC1CCSC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is UBMFJCSMZNFAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-12(10-2-3-10)6-5-11-9-4-7-13-8-9/h9-11H,2-8H2,1H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 200.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62975333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).