N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C17H26N2S2 — CID 120845148

IUPACN-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1cc(CN(CC2CCSC2)C2CC23CCNCC3)cs1
InChIInChI=1S/C17H26N2S2/c1-7-20-12-14(1)10-19(11-15-2-8-21-13-15)16-9-17(16)3-5-18-6-4-17/h1,7,12,15-16,18H,2-6,8-11,13H2
InChIKeyBHBCJPWNGVLGDT-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.45
Rot. Bonds5

About N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine

N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 120845148) has the molecular formula C17H26N2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID120845148
Molecular FormulaC17H26N2S2
Molecular Weight322.54 g/mol
Exact Mass322.15
IUPAC NameN-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1cc(CN(CC2CCSC2)C2CC23CCNCC3)cs1
InChIInChI=1S/C17H26N2S2/c1-7-20-12-14(1)10-19(11-15-2-8-21-13-15)16-9-17(16)3-5-18-6-4-17/h1,7,12,15-16,18H,2-6,8-11,13H2
InChIKeyBHBCJPWNGVLGDT-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 128997787
N-[[4-(difluoromethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845091
N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 120967049
(2R)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129324301
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;dihydrochloride
CID 128997510
3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
CID 129325122
5-[[6-azaspiro[2.5]octan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 129008083
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129335525
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 128990570

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 120845148) is N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine is c1cc(CN(CC2CCSC2)C2CC23CCNCC3)cs1.
What is the InChIKey of N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is BHBCJPWNGVLGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S2/c1-7-20-12-14(1)10-19(11-15-2-8-21-13-15)16-9-17(16)3-5-18-6-4-17/h1,7,12,15-16,18H,2-6,8-11,13H2.
What are the key properties of N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 322.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120845148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).