1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine

C10H22N2S — CID 43296809

IUPAC1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCC(C)C(N)CN(C)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-8(2)10(11)6-12(3)9-4-5-13-7-9/h8-10H,4-7,11H2,1-3H3
InChIKeyRBRUEMPYYLIPHX-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.41
Rot. Bonds4

About 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine

1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine (PubChem CID 43296809) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
PubChem CID43296809
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCC(C)C(N)CN(C)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-8(2)10(11)6-12(3)9-4-5-13-7-9/h8-10H,4-7,11H2,1-3H3
InChIKeyRBRUEMPYYLIPHX-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
3-Pyrrolidinamine, 4-[(methylthio)methyl]-
CID 45078941
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
N,N-dimethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 53910332
4-(Ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53918466
N-ethyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53930399
4-(ethylsulfanylmethyl)-N-methylpyrrolidin-3-amine
CID 53964468
N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54065759
N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54236574
N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54463614
5-methyl-N-(2-methylpropyl)thiolan-3-amine
CID 57201026
2-methyl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 58109885

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine (CID 43296809) is 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine is CC(C)C(N)CN(C)C1CCSC1.
What is the InChIKey of 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The InChIKey is RBRUEMPYYLIPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-8(2)10(11)6-12(3)9-4-5-13-7-9/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 43296809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).